Ethyl cyanoacetate

CAS No. 105-56-6

Formula: C5H7NO2
Basic Info

Ethyl cyanoacetate is an organic compound that contains a carboxylate ester and a nitrile. It is a colourless liquid with a pleasant odor. This material is useful as a starting material for synthesis due to its variety of functional groups and chemical reactivity.

Formula
C5H7NO2
Molecular Weight
113.115
Exact Mass
113.048
LogP
0.46318
PSA
50.09
Synonyms

Cyanoacetic Acid Ethyl Ester

ethyl 2-cyanoacetate

Ethyl Cyanoacetate

Acetic acid, cyano-, ethyl ester

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Properties
Appearance & Physical State
Clear to very yellow liquid
Density
1.063
Boiling Point
208-210ºC
Melting Point
-22ºC
Flash Point
110ºC
Refractive Index
1.417-1.419
Water Solubility
20 g/L (20 ºC)
Vapor Density
3.9 (vs air)
Vapor Pressure
1 mm Hg ( 67.8 °C)
Safety Info
RTECS
AG4110000
Safety Statements
S26-S37/39
WGK Germany
1
Risk Statements
R36/38
HS Code
2926909090
RIDADR
UN 2666
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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ESR Spectrum ESR : UV PHOTOLYSIS IN T-BUTYL ALCOHOL, H2O2, 35C
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-54
Retention index
959.
Temperature Control
Method
temperature ramp
Comments
25. m/0.31 mm/0.17 μm, H2, 2. K/min; T<sub>start</sub>: 35. C
Reference
Weber, L.Utilization of the Sadtler standard RI system in micropollution analysesJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 8, 446-451.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-54
Retention index
960.
Temperature Control
Method
temperature ramp
Comments
25. m/0.31 mm/0.17 μm, H2, 2. K/min; T<sub>start</sub>: 35. C
Reference
Weber, L.Utilization of the Sadtler standard RI system in micropollution analysesJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 8, 446-451.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
962.
Temperature Control
Method
temperature ramp
Comments
25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; T<sub>end</sub>: 180. C
Reference
Jung, A.Wichmann, K.-H.Kolb, M.VOC emission of polymeric packaging materialsLaborPraxis1999, 23, 9, 20-22.

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